⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL14941584 | 0.70 | — | — | |
| SCHEMBL5162646 | 0.69 | TYMP (0.31) | — | |
| SCHEMBL11645115 | 0.63 | PTGS2 (0.31) | — | |
| SCHEMBL9129637 | 0.60 | — | — | |
| SCHEMBL25268461 | 0.59 | PTGS2 (0.31) | — | |
| SCHEMBL1639938 | 0.57 | HCAR2 (0.30) | — | |
| SCHEMBL14919039 | 0.56 | PTGS2 (0.45) | — | |
| SCHEMBL9057288 | 0.55 | NOTUM (0.31) | — | |
| SCHEMBL24345690 | 0.54 | P2RX7 (0.38) | — | |
| SCHEMBL597046 | 0.53 | NLRP3 (0.50) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116547287-A | Inhibitors of APOL1 and methods of use thereof | 弗特克斯药品有限公司 | 2023-08-04 | — | — | CN | disclosed |